Molecule

ID:32129

General Information
Structure
Molecular Formula
C₉H₈F₄
Molecular Mass
192.1534328
Exact Mass
192.05621314
Charge
0
InChI
InChI=1S/C9H8F4/c1-2-9(12,13)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3
InChIKey
BLNLJNABBMEEHA-UHFFFAOYSA-N
Canonic Smiles
CCC(c1cc(F)ccc1F)(F)F
Isomeric Smiles
Fc1cc(c(cc1)F)C(CC)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5326736
LogD (pH = 7.4)
3.5326736
Log P
3.5326736
Molar Refractivity
41.0654
Polarizability
14.90971
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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